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2-Fluoro-3-trifluoromethylbenzoic acid, 6-tetradecyl ester

View entire compound with spectra: 1 NMR

2-Fluoro-3-trifluoromethylbenzoic acid, 6-tetradecyl ester
SpectraBase Compound ID 5EaTkI4HfI5
InChI InChI=1S/C22H32F4O2/c1-3-5-7-8-9-11-14-17(13-10-6-4-2)28-21(27)18-15-12-16-19(20(18)23)22(24,25)26/h12,15-17H,3-11,13-14H2,1-2H3
InChIKey BHPVLZHIEPXBLQ-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C22H32F4O2
Exact Mass 404.233843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZLQTRlORNP
Name 2-Fluoro-3-trifluoromethylbenzoic acid, 6-tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.233842920 u
Formula C22H32F4O2
InChI InChI=1S/C22H32F4O2/c1-3-5-7-8-9-11-14-17(13-10-6-4-2)28-21(27)18-15-12-16-19(20(18)23)22(24,25)26/h12,15-17H,3-11,13-14H2,1-2H3
InChIKey BHPVLZHIEPXBLQ-UHFFFAOYSA-N
Molecular Weight 404.490 g/mol
SMILES C1(=C(C(=CC=C1)C(OC(CCCCC)CCCCCCCC)=O)F)C(F)(F)F